8-N,9-N,9-N-triphenyl-8-N-(2-phenylphenyl)naphtho[2,1-b][1]benzofuran-8,9-diamine

C46H32N2O — CID 166856528

IUPAC8-N,9-N,9-N-triphenyl-8-N-(2-phenylphenyl)naphtho[2,1-b][1]benzofuran-8,9-diamine
SMILESc1ccc(-c2ccccc2N(c2ccccc2)c2c(N(c3ccccc3)c3ccccc3)ccc3c2oc2ccc4ccccc4c23)cc1
InChIInChI=1S/C46H32N2O/c1-5-17-33(18-6-1)38-26-15-16-28-41(38)48(37-24-11-4-12-25-37)45-42(47(35-20-7-2-8-21-35)36-22-9-3-10-23-36)31-30-40-44-39-27-14-13-19-34(39)29-32-43(44)49-46(40)45/h1-32H
InChIKeyMSKLQZYEQUIQMV-UHFFFAOYSA-N
MW628.78 g/mol
LogP13.35
Rot. Bonds7

About 8-N,9-N,9-N-triphenyl-8-N-(2-phenylphenyl)naphtho[2,1-b][1]benzofuran-8,9-diamine

8-N,9-N,9-N-triphenyl-8-N-(2-phenylphenyl)naphtho[2,1-b][1]benzofuran-8,9-diamine (PubChem CID 166856528) has the molecular formula C46H32N2O and a molecular weight of 628.78 g/mol. Its IUPAC name is 8-N,9-N,9-N-triphenyl-8-N-(2-phenylphenyl)naphtho[2,1-b][1]benzofuran-8,9-diamine.

Molecular Properties

Compound Name8-N,9-N,9-N-triphenyl-8-N-(2-phenylphenyl)naphtho[2,1-b][1]benzofuran-8,9-diamine
PubChem CID166856528
Molecular FormulaC46H32N2O
Molecular Weight628.78 g/mol
Exact Mass628.25
IUPAC Name8-N,9-N,9-N-triphenyl-8-N-(2-phenylphenyl)naphtho[2,1-b][1]benzofuran-8,9-diamine
SMILESc1ccc(-c2ccccc2N(c2ccccc2)c2c(N(c3ccccc3)c3ccccc3)ccc3c2oc2ccc4ccccc4c23)cc1
InChIInChI=1S/C46H32N2O/c1-5-17-33(18-6-1)38-26-15-16-28-41(38)48(37-24-11-4-12-25-37)45-42(47(35-20-7-2-8-21-35)36-22-9-3-10-23-36)31-30-40-44-39-27-14-13-19-34(39)29-32-43(44)49-46(40)45/h1-32H
InChIKeyMSKLQZYEQUIQMV-UHFFFAOYSA-N
XLogP13.35
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.78
LogP ≤ 513.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 8-N,9-N,9-N-triphenyl-8-N-(2-phenylphenyl)naphtho[2,1-b][1]benzofuran-8,9-diamine with MolForge

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Related Compounds

9-N-phenyl-8-N-(3-phenylphenyl)-8-N,9-N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8,9-diamine
CID 166856280
N,8-diphenyl-N-(2-phenylphenyl)naphtho[2,1-b][1]benzofuran-3-amine
CID 177130769
N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-2-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167331276
N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-2-phenyl-N-(4-phenylphenyl)aniline
CID 167330365
N-phenyl-N-(4-phenylphenyl)-8-[phenyl-(2-phenylphenyl)methyl]naphtho[2,1-b][1]benzofuran-9-amine
CID 169293370
N,N-bis(4-naphthalen-1-ylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 130290124
N,N-bis(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 130289750
1-N,6-N-bis(2,6-dimethyl-4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)-1-N,6-N-diphenylpyrene-1,6-diamine
CID 118333223
9-N,10-N-diphenyl-9-N-(2-phenylphenyl)-10-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-9,10-diamine
CID 166856414
N-[3-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 169285534
2-naphtho[1,2-b][1]benzofuran-7-yl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167331209
4-naphthalen-1-yl-N-(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)-N-phenylaniline
CID 170031129

Frequently Asked Questions

What is the IUPAC name of 8-N,9-N,9-N-triphenyl-8-N-(2-phenylphenyl)naphtho[2,1-b][1]benzofuran-8,9-diamine?
The IUPAC name of 8-N,9-N,9-N-triphenyl-8-N-(2-phenylphenyl)naphtho[2,1-b][1]benzofuran-8,9-diamine (CID 166856528) is 8-N,9-N,9-N-triphenyl-8-N-(2-phenylphenyl)naphtho[2,1-b][1]benzofuran-8,9-diamine.
What is the SMILES notation for 8-N,9-N,9-N-triphenyl-8-N-(2-phenylphenyl)naphtho[2,1-b][1]benzofuran-8,9-diamine?
The canonical SMILES for 8-N,9-N,9-N-triphenyl-8-N-(2-phenylphenyl)naphtho[2,1-b][1]benzofuran-8,9-diamine is c1ccc(-c2ccccc2N(c2ccccc2)c2c(N(c3ccccc3)c3ccccc3)ccc3c2oc2ccc4ccccc4c23)cc1.
What is the InChIKey of 8-N,9-N,9-N-triphenyl-8-N-(2-phenylphenyl)naphtho[2,1-b][1]benzofuran-8,9-diamine?
The InChIKey is MSKLQZYEQUIQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H32N2O/c1-5-17-33(18-6-1)38-26-15-16-28-41(38)48(37-24-11-4-12-25-37)45-42(47(35-20-7-2-8-21-35)36-22-9-3-10-23-36)31-30-40-44-39-27-14-13-19-34(39)29-32-43(44)49-46(40)45/h1-32H.
What are the key properties of 8-N,9-N,9-N-triphenyl-8-N-(2-phenylphenyl)naphtho[2,1-b][1]benzofuran-8,9-diamine?
8-N,9-N,9-N-triphenyl-8-N-(2-phenylphenyl)naphtho[2,1-b][1]benzofuran-8,9-diamine has a molecular weight of 628.78 g/mol, XLogP of 13.35, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N,9-N,9-N-triphenyl-8-N-(2-phenylphenyl)naphtho[2,1-b][1]benzofuran-8,9-diamine is sourced from PubChem (CID 166856528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).